SCHEMBL17834790

SCHEMBL17834790

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)nc5)C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CA2 P00918 8/20 0.37
▸ CA1 P00915 4/20 0.37
▸ MME P08473 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ DGAT1 O75907 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ GABRA5 P31644 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19481404 0.93 DGAT1 (0.45) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL17834788 0.91 L3MBTL1 (0.40) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL17834791 0.90 MME (0.38) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL17834451 0.90 CCR1 (0.36) DGAT1MMP2MMP9BTK
SCHEMBL17834638 0.89 ITGB1 (0.40) ITGB1ITGA4CA2CA1MME
SCHEMBL17834928 0.89 MME (0.38) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL17834635 0.88 ITGB1 (0.40) ITGB1ITGA4CA2CA1MME
SCHEMBL17834678 0.88 ALDH1A1 (0.38) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL17834798 0.88 CA2 (0.43) ITGB1ITGA4CA2CA1CA12
SCHEMBL17834669 0.88 DGAT1 (0.41) ITGB1ITGA4CA2CA1MME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885PDK1 3327/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885PDK1 3327/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885PDK1 3378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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